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YYA-021

CAT: 0013-GTR19163214-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163214-05Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A small-molecule CD4 mimic that acts as a highly potent HIV entry inhibitor with IC50 of 9 uM against YTA48P virus with no significant cytotoxicity; shows wide tissue distribution and relatively high distribution volumes, and has promise for intravenous administration.
CAS Number
144217-65-2
Product Name Alternative
YYA 021 | YYA021
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
O=C (NC1CC (C) (C) NC (C) (C) C1) C (NC2=CC=C (C) C=C2) =O
Molecular Formula
C18H27N3O2
Molecular Weight
317.4259
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Ethanediamide, N1- (4-methylphenyl) -N2- (2,2,6,6-tetramethyl-4-piperidinyl) -

Chemical Information

N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CAS Number144217-65-2
PubChem CID3107635
IUPAC NameN'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
Molecular FormulaC18H27N3O2
Molecular Weight317.4
XLogP2.5
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity435
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)NC2CC(NC(C2)(C)C)(C)C
InChI
InChI=1S/C18H27N3O2/c1-12-6-8-13(9-7-12)19-15(22)16(23)20-14-10-17(2,3)21-18(4,5)11-14/h6-9,14,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)
InChIKey
AYAGJQPDCPRMNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CAS: 144217-65-2
CID: 3107635
Formula: C18H27N3O2
MW: 317.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.4
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass317.21032711
Monoisotopic Mass317.21032711
Topological Polar Surface Area70.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS131455YYA-021 (YYA 021; YYA021)
B3705-25YYA-021
A14296-5YYA-021 5mg
A14296-200YYA-021 200mg
A14296-25YYA-021 25mg
A14296-50YYA-021 50mg
A14296-10YYA-021 10mg
A14296-100YYA-021 100mg
A14296-10mM-DYYA-021 10mM * 1mL in DMSO
BA6883-50GAL-021

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